200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113739-31-4
113739-31-4 | L-Proline, 1-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-seryl]-L-tyrosyl]- (9CI)
CAS No: 113739-31-4 Catalog No: AG0009IJ MDL No:
Product Description
Catalog Number:
AG0009IJ
Chemical Name:
L-Proline, 1-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-seryl]-L-tyrosyl]- (9CI)
CAS Number:
113739-31-4
Molecular Formula:
C22H31N3O8
Molecular Weight:
465.4968
IUPAC Name:
1-[2-[[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C22H31N3O8/c1-22(2,3)33-21(32)24-16(12-26)18(28)23-15(11-13-6-8-14(27)9-7-13)19(29)25-10-4-5-17(25)20(30)31/h6-9,15-17,26-27H,4-5,10-12H2,1-3H3,(H,23,28)(H,24,32)(H,30,31)
InChI Key:
MJPJVCLEFWUALD-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)NC(=O)OC(C)(C)C
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.211g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
465.503g/mol
Monoisotopic Mass:
465.211g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.